N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C15H19N5O — CID 77087376

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(C)n2ncc(CN(C)C(C)c3ccon3)c2n1
InChIInChI=1S/C15H19N5O/c1-10-7-11(2)20-15(17-10)13(8-16-20)9-19(4)12(3)14-5-6-21-18-14/h5-8,12H,9H2,1-4H3
InChIKeyARXKKAWEOLVSDP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.53
Rot. Bonds4

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 77087376) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID77087376
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1cc(C)n2ncc(CN(C)C(C)c3ccon3)c2n1
InChIInChI=1S/C15H19N5O/c1-10-7-11(2)20-15(17-10)13(8-16-20)9-19(4)12(3)14-5-6-21-18-14/h5-8,12H,9H2,1-4H3
InChIKeyARXKKAWEOLVSDP-UHFFFAOYSA-N
XLogP2.53
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 77087376) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is Cc1cc(C)n2ncc(CN(C)C(C)c3ccon3)c2n1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is ARXKKAWEOLVSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-7-11(2)20-15(17-10)13(8-16-20)9-19(4)12(3)14-5-6-21-18-14/h5-8,12H,9H2,1-4H3.
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 77087376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).